{"id":"W4377990755","doi":"10.1016/j.bioorg.2023.106621","title":"Substituted furan sulfonamides as carbonic anhydrase inhibitors: Synthesis, biological and in silico studies","year":2023,"lang":"en","type":"article","venue":"Bioorganic Chemistry","topic":"Enzyme function and inhibition","field":"Biochemistry, Genetics and Molecular Biology","cited_by":9,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Ontario Ministry of Research, Innovation and Science; Unitatea Executiva pentru Finantarea Invatamantului Superior, a Cercetarii, Dezvoltarii si Inovarii; Ministerul Cercetării, Inovării şi Digitalizării; Corporation for National and Community Service","keywords":"Chemistry; Acetazolamide; Carbonic anhydrase; Active site; In silico; Gene isoform; ADME; Carbonic Anhydrase I; Biochemistry; Bioavailability; Sulfonamide; Stereochemistry; Enzyme; Pharmacology; In vitro; Gene","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005432356,0.0005901378,0.0005636581,0.0001970596,0.0002004318,0.0004417693,0.0004936488,0.0003417374,0.001379137],"category_scores_gemma":[0.0004999335,0.0001872069,0.0003850038,0.0002655514,0.0002247178,0.0003067351,0.0001811818,0.0005627131,0.0003301596],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007511249,"about_ca_system_score_gemma":0.0004964979,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002045098,"about_ca_topic_score_gemma":0.003082481,"domain_scores_codex":[0.9998087,0.00006590381,0.000009425788,0.00002967032,0.00005218072,0.00003415682],"domain_scores_gemma":[0.9998657,0.00005208405,0.00002466848,0.00001039885,0.00002841223,0.00001881932],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.001850265,0.001189935,0.001867527,0.001569427,0.000313651,0.001060914,0.0002610018,0.06982481,0.8446122,0.007937423,0.001748476,0.06776442],"study_design_scores_gemma":[0.0003737369,0.006701536,0.001601562,0.000127414,0.0004119607,0.000801315,0.0001475918,0.06137333,0.8983984,0.0008825985,0.02907893,0.0001015835],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9662904,0.0139428,0.01192873,0.0003229416,0.00007152795,0.0001787269,0.0006096847,0.0001237916,0.006531481],"genre_scores_gemma":[0.9809662,0.008789416,0.007184725,0.00004732273,0.00001719213,0.00003840273,0.000430683,0.00001925266,0.002506884],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002045098,"threshold_uncertainty_score":0.005449831,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02471134311546453,"score_gpt":0.2687634537702908,"score_spread":0.2440521106548262,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}